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SMILES: C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)n1cc(cn1)C(C)(C)O

InChI Key: InChIKey=SOMUVTGSSJRLLI-NVXWUHKLSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 401859   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM401859 (2-{1-[(3R,6R)-6-Methyl-1-{[2-(2H-1,2,3-triazol-2-y...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)n1cc(cn1)C(C)(C)O Show InChI InChI=1S/C21H26N6O2/c1-15-8-9-17(26-13-16(12-24-26)21(2,3)29)14-25(15)20(28)18-6-4-5-7-19(18)27-22-10-11-23-27/h4-7,10-13,15,17,29H,8-9,14H2,1-3H3/t15-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				J Med Chem 52: 7142-56 (2009) BindingDB Entry DOI: 10.7270/Q2S75JPN
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM401859 (2-{1-[(3R,6R)-6-Methyl-1-{[2-(2H-1,2,3-triazol-2-y...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)n1cc(cn1)C(C)(C)O Show InChI InChI=1S/C21H26N6O2/c1-15-8-9-17(26-13-16(12-24-26)21(2,3)29)14-25(15)20(28)18-6-4-5-7-19(18)27-22-10-11-23-27/h4-7,10-13,15,17,29H,8-9,14H2,1-3H3/t15-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21.6	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				J Med Chem 52: 7142-56 (2009) BindingDB Entry DOI: 10.7270/Q2S75JPN
					More data for this Ligand-Target Pair